6-[5-[2-[[6-[(1-aminocyclopropyl)methoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C26H30FN5O5 — CID 156862306

IUPAC6-[5-[2-[[6-[(1-aminocyclopropyl)methoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESNC1(COc2cc(F)c3c(c2)CC(CNCCC2CN(c4ccc5c(n4)NC(=O)CO5)C(=O)O2)C3)CC1
InChIInChI=1S/C26H30FN5O5/c27-20-10-18(36-14-26(28)4-5-26)9-16-7-15(8-19(16)20)11-29-6-3-17-12-32(25(34)37-17)22-2-1-21-24(30-22)31-23(33)13-35-21/h1-2,9-10,15,17,29H,3-8,11-14,28H2,(H,30,31,33)
InChIKeyKCZWEDWQXOSEMZ-UHFFFAOYSA-N
MW511.55 g/mol
LogP2.14
Rot. Bonds9

About 6-[5-[2-[[6-[(1-aminocyclopropyl)methoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[5-[2-[[6-[(1-aminocyclopropyl)methoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 156862306) has the molecular formula C26H30FN5O5 and a molecular weight of 511.55 g/mol. Its IUPAC name is 6-[5-[2-[[6-[(1-aminocyclopropyl)methoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name6-[5-[2-[[6-[(1-aminocyclopropyl)methoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
PubChem CID156862306
Molecular FormulaC26H30FN5O5
Molecular Weight511.55 g/mol
Exact Mass511.22
IUPAC Name6-[5-[2-[[6-[(1-aminocyclopropyl)methoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
SMILESNC1(COc2cc(F)c3c(c2)CC(CNCCC2CN(c4ccc5c(n4)NC(=O)CO5)C(=O)O2)C3)CC1
InChIInChI=1S/C26H30FN5O5/c27-20-10-18(36-14-26(28)4-5-26)9-16-7-15(8-19(16)20)11-29-6-3-17-12-32(25(34)37-17)22-2-1-21-24(30-22)31-23(33)13-35-21/h1-2,9-10,15,17,29H,3-8,11-14,28H2,(H,30,31,33)
InChIKeyKCZWEDWQXOSEMZ-UHFFFAOYSA-N
XLogP2.14
TPSA128.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.55
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[5-[2-[[6-[(1-aminocyclopropyl)methoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[5-[2-[[6-[(1-aminocyclopropyl)methoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The IUPAC name of 6-[5-[2-[[6-[(1-aminocyclopropyl)methoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 156862306) is 6-[5-[2-[[6-[(1-aminocyclopropyl)methoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.
What is the SMILES notation for 6-[5-[2-[[6-[(1-aminocyclopropyl)methoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The canonical SMILES for 6-[5-[2-[[6-[(1-aminocyclopropyl)methoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is NC1(COc2cc(F)c3c(c2)CC(CNCCC2CN(c4ccc5c(n4)NC(=O)CO5)C(=O)O2)C3)CC1.
What is the InChIKey of 6-[5-[2-[[6-[(1-aminocyclopropyl)methoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
The InChIKey is KCZWEDWQXOSEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O5/c27-20-10-18(36-14-26(28)4-5-26)9-16-7-15(8-19(16)20)11-29-6-3-17-12-32(25(34)37-17)22-2-1-21-24(30-22)31-23(33)13-35-21/h1-2,9-10,15,17,29H,3-8,11-14,28H2,(H,30,31,33).
What are the key properties of 6-[5-[2-[[6-[(1-aminocyclopropyl)methoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?
6-[5-[2-[[6-[(1-aminocyclopropyl)methoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 511.55 g/mol, XLogP of 2.14, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[2-[[6-[(1-aminocyclopropyl)methoxy]-4-fluoro-2,3-dihydro-1H-inden-2-yl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 156862306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).